Information card for entry 7038855

Structure parameters

• Formula: C12 H9 N3 O
• Calculated formula: C12 H9 N3 O
• SMILES: n1(=O)ccc(C(=N#N)c2ccccc2)cc1
• Title of publication: 3- and 4-(α-diazobenzyl)pyridine-N-oxides as photoresponsive magnetic couplers for 2p-4f heterospin systems: formation of carbene-Tb(III) and carbene-Dy(III) single-molecule magnets.
• Authors of publication: Murashima, Kensuke; Karasawa, Satoru; Yoza, Kenji; Inagaki, Yuji; Koga, Noboru
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 7067 - 7077
• a: 9.582 ± 0.004 Å
• b: 11.591 ± 0.005 Å
• c: 9.149 ± 0.004 Å
• α: 90°
• β: 100.212 ± 0.005°
• γ: 90°
• Cell volume: 1000 ± 0.7 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No